AI.clife Lab

24/08/2026

📢 𝗗𝗶𝗴𝗶𝗖𝗵𝗲𝗺 𝗕𝗼𝗼𝘁𝗰𝗮𝗺𝗽 𝗨𝗽𝗱𝗮𝘁𝗲

Thank you to everyone who registered for the 𝗗𝗶𝗴𝗶𝗖𝗵𝗲𝗺 𝗕𝗼𝗼𝘁𝗰𝗮𝗺𝗽 scheduled for 𝗦𝗲𝗽𝘁𝗲𝗺𝗯𝗲𝗿!

After reviewing the profiles and interests of our registered participants, we found that many are faculty members and industry professionals. Only a few participants expressed interest in joining our laboratory as thesis students.

The bootcamp was initially planned as a free training activity for undergraduate and graduate students interested in joining our laboratory as thesis students. However, we would like to expand the program to accommodate more participants, invite additional lecturers, and offer face-to-face sessions along with the online training.

To support this expanded program, we are planning to submit a proposal next year to the 𝗗𝗢𝗦𝗧-𝗣𝗖𝗜𝗘𝗘𝗥𝗗 𝗥𝗜𝗘𝗘𝗧𝗢𝗢𝗟 (𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵𝗲𝗿𝘀 𝗼𝗻 𝗜𝗻𝗱𝘂𝘀𝘁𝗿𝘆, 𝗘𝗻𝗲𝗿𝗴𝘆, 𝗘𝗺𝗲𝗿𝗴𝗶𝗻𝗴 𝗧𝗲𝗰𝗵𝗻𝗼𝗹𝗼𝗴𝗶𝗲𝘀 – 𝗢𝗽𝗲𝗻𝗶𝗻𝗴 𝗢𝗽𝗽𝗼𝗿𝘁𝘂𝗻𝗶𝘁𝗶𝗲𝘀 𝗳𝗼𝗿 𝗟𝗲𝗮𝗿𝗻𝗶𝗻𝗴) program for research capacity building.

For this reason, we have decided to postpone the DigiChem Bootcamp scheduled for September while we seek funding for the expanded program. Once funding is secured and we finalize a new schedule, we will announce it and prioritize applications from those who registered for the original training.

We sincerely appreciate your interest and understanding. We hope to bring you a more comprehensive DigiChem Bootcamp in the future!

For future announcements and updates, please follow this page.

17/08/2026

📢 𝗨𝗣𝗗𝗔𝗧𝗘: 𝗧𝗛𝗘𝗦𝗜𝗦 𝗖𝗢-𝗔𝗗𝗩𝗜𝗦𝗘𝗘 𝗔𝗣𝗣𝗟𝗜𝗖𝗔𝗧𝗜𝗢𝗡𝗦 𝗔𝗥𝗘 𝗡𝗢𝗪 𝗖𝗟𝗢𝗦𝗘𝗗!

Thank you to everyone who submitted their applications to join the 𝗗𝗢𝗦𝗧-𝗳𝘂𝗻𝗱𝗲𝗱 𝗚𝗔𝗜𝗱𝗲𝗱 𝗔𝗥𝗠𝗦 𝗣𝗿𝗼𝗷𝗲𝗰𝘁 as undergraduate thesis co-advisees. We appreciate your interest in joining our research team!

📩 We will review all applications and inform applicants of the results within this week.

Accepted students are expected to begin their thesis activities in 𝗗𝗲𝗰𝗲𝗺𝗯𝗲𝗿 𝟮𝟬𝟮𝟲 𝗼𝗿 𝗝𝗮𝗻𝘂𝗮𝗿𝘆 𝟮𝟬𝟮𝟳. Water sampling will first begin in the rivers on the eastern side of Leyte. We will then proceed to the sampling sites on the western side of Leyte assigned to the accepted thesis students.

The 𝗗𝗢𝗦𝗧-𝗳𝘂𝗻𝗱𝗲𝗱 𝗚𝗔𝗜𝗱𝗲𝗱 𝗔𝗥𝗠𝗦 𝗣𝗿𝗼𝗷𝗲𝗰𝘁 is looking for motivated 𝘂𝗻𝗱𝗲𝗿𝗴𝗿𝗮𝗱𝘂𝗮𝘁𝗲 𝘁𝗵𝗲𝘀𝗶𝘀 𝗰𝗼-𝗮𝗱𝘃𝗶𝘀𝗲𝗲𝘀 to join an interdisciplinary research team from 𝗣𝗛𝗘𝗜𝗥𝗟 𝗼𝗳 𝗨𝗣 𝗗𝗶𝗹𝗶𝗺𝗮𝗻 and 𝗩𝗦𝗨 𝗧𝗼𝗹𝗼𝘀𝗮. The project aims to investigate antimicrobial resistance (AMR) in Leyte’s major rivers and develop a GeoAI-based AMR surveillance model to help predict AMR hotspots across the Philippines.

📍 See the attached map for the locations of the sampling sites.

As a thesis co-advisee, you will:

🌊 Collect and process water samples from rivers in the western part of Leyte.
🧪 Measure water physicochemical properties.
🦠 Screen for antibiotic resistant bacteria (ARB) and genes (ARGs).
🗺️ Contribute to the development of a GeoAI-based AMR surveillance model.

We are looking for research-oriented students, preferably those at the thesis proposal stage.

📩 𝗜𝗻𝘁𝗲𝗿𝗲𝘀𝘁𝗲𝗱? Send your 𝗟𝗲𝘁𝘁𝗲𝗿 𝗼𝗳 𝗜𝗻𝘁𝗲𝗻𝘁, 𝗖𝗩, and screenshot of 𝗴𝗿𝗮𝗱𝗲𝘀 from CumulusOne to: 𝗥𝗲𝗺𝗺𝗲𝗿 𝗟. 𝗦𝗮𝗹𝗮𝘀 ([email protected])

𝗗𝗲𝗮𝗱𝗹𝗶𝗻𝗲: August 24, 2026

Know someone who might be interested? Feel free to share this opportunity!

Poster by: Joshua Pray Calacar, Project Technical Assistant of the GAIded ARMS Project

12/08/2026

📢 𝐂𝐀𝐋𝐋 𝐅𝐎𝐑 𝐒𝐔𝐑𝐕𝐄𝐘 𝐑𝐄𝐒𝐏𝐎𝐍𝐃𝐄𝐍𝐓𝐒 📣

Are you interested in 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗖𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆, 𝗖𝗵𝗲𝗺𝗶𝗻𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗰𝘀, 𝗖𝗵𝗲𝗺𝗶𝗰𝗮𝗹 𝗗𝗮𝘁𝗮 𝗦𝗰𝗶𝗲𝗻𝗰𝗲, 𝗼𝗿 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗗𝗿𝘂𝗴 𝗗𝗶𝘀𝗰𝗼𝘃𝗲𝗿𝘆?

The VSU Tolosa Department of Natural Sciences and Mathematics and Visayas State University Tolosa are conducting a survey to assess the potential demand for the proposed:

🎓 𝗕𝗦 𝗖𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆 𝗠𝗮𝗷𝗼𝗿 𝗶𝗻 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗖𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆 𝗮𝗻𝗱 𝗖𝗵𝗲𝗺𝗶𝗻𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗰𝘀

The proposed program combines 𝗰𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆 𝘄𝗶𝘁𝗵 𝗰𝗼𝗺𝗽𝘂𝘁𝗲𝗿 𝗽𝗿𝗼𝗴𝗿𝗮𝗺𝗺𝗶𝗻𝗴, 𝗮𝗿𝘁𝗶𝗳𝗶𝗰𝗶𝗮𝗹 𝗶𝗻𝘁𝗲𝗹𝗹𝗶𝗴𝗲𝗻𝗰𝗲, 𝗰𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗰𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆, 𝗮𝗻𝗱 𝗰𝗵𝗲𝗺𝗶𝗻𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗰𝘀 to prepare students for emerging careers in chemical data science and related fields.

🤔 𝗪𝗵𝗼 𝗰𝗮𝗻 𝗽𝗮𝗿𝘁𝗶𝗰𝗶𝗽𝗮𝘁𝗲?
Grade 10–12 students, recent Senior High School graduates, and currently enrolled college/university students.

📋 𝗧𝗮𝗸𝗲 𝘁𝗵𝗲 𝘀𝘂𝗿𝘃𝗲𝘆:
👉 https://forms.gle/xUjbp2h9pDkv7yVa6

📱 You may also 𝘀𝗰𝗮𝗻 𝘁𝗵𝗲 𝗤𝗥 𝗰𝗼𝗱𝗲 in the poster to access the survey.

Your response will help us assess student interest and support the feasibility of offering this program at VSU Tolosa.

07/07/2026

📢 𝗥𝗲𝗴𝗶𝘀𝘁𝗿𝗮𝘁𝗶𝗼𝗻 𝗶𝘀 𝗻𝗼𝘄 𝗼𝗽𝗲𝗻!

The 𝗔𝗿𝘁𝗶𝗳𝗶𝗰𝗶𝗮𝗹 𝗜𝗻𝘁𝗲𝗹𝗹𝗶𝗴𝗲𝗻𝗰𝗲 𝗮𝗻𝗱 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗟𝗶𝗳𝗲 𝗦𝗰𝗶𝗲𝗻𝗰𝗲𝘀 𝗟𝗮𝗯𝗼𝗿𝗮𝘁𝗼𝗿𝘆 (𝗔𝗜.𝗰𝗹𝗶𝗳𝗲 𝗟𝗮𝗯) of the Department of Natural and Mathematical Sciences, Visayas State University Tolosa, is pleased to offer a FREE 11-day online bootcamp:

𝗗𝗶𝗴𝗶𝘁𝗮𝗹 𝗖𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆 𝗕𝗼𝗼𝘁𝗰𝗮𝗺𝗽
From Python Programming to AI-Driven Molecular Design
📅 𝗦𝗰𝗵𝗲𝗱𝘂𝗹𝗲: Every Saturday, Sep 19 to Dec 12, 2026
💻 𝗣𝗹𝗮𝘁𝗳𝗼𝗿𝗺: Zoom

This bootcamp is designed for undergraduate and graduate students who are interested in applying artificial intelligence and molecular modeling to biology, chemistry, biophysics, and drug discovery.

Participants will receive hands-on training in:
🐍 Scientific Computing with Python
🤖 Classical Machine Learning
⚛️ Molecular Docking
⚛️ Molecular Dynamics Simulations
⚛️ Molecular Mechanics
🧠 Deep Learning and Graph Neural Networks
🤖 Generative AI for Molecular Design
📝 Scientific Writing

📖 The complete bootcamp outline is available on GitHub:
https://github.com/mersalas/DigiChem_Bootcamp

📝 𝗥𝗲𝗴𝗶𝘀𝘁𝗲𝗿 𝗵𝗲𝗿𝗲: https://forms.gle/M7RpmoRreE6B6uHVA
📱 Or simply scan the QR code on the poster.

⚠️ Limited slots are available. The registration deadline is August 3, 2026 (Monday). 𝘗𝘳𝘪𝘰𝘳𝘪𝘵𝘺 𝘸𝘪𝘭𝘭 𝘣𝘦 𝘨𝘪𝘷𝘦𝘯 𝘵𝘰 𝘢𝘱𝘱𝘭𝘪𝘤𝘢𝘯𝘵𝘴 𝘸𝘩𝘰 𝘸𝘪𝘭𝘭 𝘣𝘦 𝘫𝘰𝘪𝘯𝘪𝘯𝘨 𝘵𝘩𝘦 𝘈𝘐.𝘤𝘭𝘪𝘧𝘦 𝘓𝘢𝘣 𝘢𝘴 𝘵𝘩𝘦𝘴𝘪𝘴 𝘤𝘰-𝘢𝘥𝘷𝘪𝘴𝘦𝘦𝘴.

02/07/2026

If you are an experimental chemist and planning to apply artificial intelligence (AI) in the wet lab and experimental data analysis, Zhang's Deep Synthesis Lab has created a course called AI for Experimental Chemistry. The paper is published in the ACS Journal of Chemical Education: https://pubs.acs.org/doi/10.1021/acs.jchemed.5c01699
Colab notebooks for the course are available on their website: https://zzhenglab.github.io/ai4chem/intro.html

Welcome to CHEM 5080: AI for Experimental Chemistry # Washington University in St. Louis Fall 2026 Instructor: Zhiling “Zach” Zheng (he/him) Office: McMillen 411 | Web: Deep Synthesis Lab | Email: [email protected] This class is open to everyone and can be taken at your own pace. All tutorials are fr...

23/06/2026

There is an ongoing free summer bootcamp on Scientific Computing for Beginners with Python, Pytorch, and AI, organized by Dr. Pratyush Tiwary of the University of Maryland. Colab notebooks and recordings (to be posted after classes) are available at the course website: https://scotch.wangyq.net/
The video recording of the first lecture on Introduction to Python is already available at the YouTube Channel of Dr. Tiwary: https://youtu.be/baMCfP_P9pM?si=bCytP_tUGOTu3R0N

Enjoy the videos and music you love, upload original content, and share it all with friends, family, and the world on YouTube.

12/05/2026

🦠 Remmer Salas, Dr. Portia Mahal Sabido, and Dr. Ricky Nellas of the UP Diliman Institute of Chemistry developed ISCAPE (Interpretable Support Vector Classifier of Antibacterial Activity of Peptides against 𝘌𝘴𝘤𝘩𝘦𝘳𝘪𝘤𝘩𝘪𝘢 𝘤𝘰𝘭𝘪), an AI-powered tool that helps experimentalists predict whether a peptide can kill or inhibit the growth of 𝘌. 𝘤𝘰𝘭𝘪.

🔗 Read here: https://science.upd.edu.ph/upd-chemists-create-ai-tool-to-predict-antibacterial-peptides/

08/04/2026

COARE's HPC service also supports several research projects by Visayas State University – Tolosa (VSU-Tolosa)'s Department of Natural Sciences and Mathematics (DNSM) that focus on antibacterial activity and antiobiotic resistance. 🧫🦠

Read more here: https://coare.asti.dost.gov.ph/stakeholders/supporting-agencies/visayas-state-university-tolosa

To know and learn more about COARE, its services, and initiatives, visit our wiki at https://coarewiki.asti.dost.gov.ph/ and our official website at https://coare.asti.dost.gov.ph/

25/03/2026

Congratulations to our principal investigator, 𝗥𝗲𝗺𝗺𝗲𝗿 𝗦𝗮𝗹𝗮𝘀, on the publication of two papers in the 𝗔𝗺𝗲𝗿𝗶𝗰𝗮𝗻 𝗖𝗵𝗲𝗺𝗶𝗰𝗮𝗹 𝗦𝗼𝗰𝗶𝗲𝘁𝘆 (ACS) Journals! 🎉

📌 Computational insights into how cationic residue length tunes antibacterial activity in ultrashort histidine-based lipopeptides (Journal of Chemical Information and Modeling)
📌 Side chain length in lysine and its homologues modulates noncovalent interactions in histidine-rich peptides (Journal of Physical Chemistry B)

These studies provide computational insights into how the side chain length of cationic residues modulates noncovalent interactions and antimicrobial activity in histidine-based peptides. Using Drude polarizable molecular dynamics (MD) simulations and quantum mechanical (QM) calculations, the authors show that diaminopropanoic acid (Dab) appears to be the optimal cationic residue for histidine-based cell-penetrating peptides (CPPs). While ornithine (Orn) may be better suited for membrane-lytic antimicrobial peptides (AMPs), supported by its potent activity against 𝘌𝘴𝘤𝘩𝘦𝘳𝘪𝘤𝘩𝘪𝘢 𝘤𝘰𝘭𝘪 and 𝘚𝘵𝘢𝘱𝘩𝘺𝘭𝘰𝘤𝘰𝘤𝘤𝘶𝘴 𝘢𝘶𝘳𝘦𝘶𝘴.

Moreover, the results suggest that shorter cationic residues fall within an optimal window for noncovalent interactions, in which balanced cation-histidine interactions enhance antimicrobial activity. Interactions that are too weak or too strong with membrane lipids can diminish or even eliminate peptide activity. These insights were successfully applied to the design of new His-based peptides, achieving up to 250-fold improved activity compared to the parent peptide. Overall, these studies provide valuable insights for the rational design of the next generation of selective and potent CPPs and AMPs.

JCIM paper: https://pubs.acs.org/doi/full/10.1021/acs.jcim.5c03211
GitHub: https://github.com/mersalas/qm_cmd
JPCB paper: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.5c08666
GitHub: https://github.com/mersalas/drude-qm

24/03/2026